(2-morpholin-4-ylpyrimidin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-morpholin-4-ylpyrimidin-4-yl) 4-methylbenzenesulfonate Openeye Name: (2-morpholinopyrimidin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-morpholinyl)-4-pyrimidinyl] ester IUPAC Name: (2-morpholin-4-ylpyrimidin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-morpholinopyrimidin-4-yl) ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC=C2)N3CCOCC3

InChI

InChI=1S/C15H17N3O4S/c1-12-2-4-13(5-3-12)23(19,20)22-14-6-7-16-15(17-14)18-8-10-21-11-9-18/h2-7H,8-11H2,1H3